2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.

Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.

MIRAVFFDSPGTLNSVEGHAKM(MHS)LKIMEEVLGDYPLNPKTLLDEYNKLTREAFSNYAGKPYRGLRDILEEVMRKLA
EKYGFKYPENFWEISLRMSQRYGELYPEVVEVLKSLKGKYHVGMITDSGTEQAMAFLDALGIKDLFDSITTSEEAGFFKP
HPRIFELALKKAGVKGEEAVYVGDNPVKDAGGSKNLGMTSILLDRKGEKREFWDKADFIVSDLREVIKIVDELNGQGSLE
HHHHHH

MIRAVFFDSPGTLNSVEGHAKMHLKIMEEVLGDYPLNPKTLLDEYNKLTREAFSNYAGKPYRGLRDILEEVMRKLAEKYG
FKYPENFWEISLRMSQRYGELYPEVVEVLKSLKGKYHVGMITDSGTEQAMAFLDALGIKDLFDSITTSEEAGFFKPHPRI
FELALKKAGVKGEEAVYVGDNPVKDAGGSKNLGMTSILLDRKGEKREFWDKADFIVSDLREVIKIVDELNGQGSLEHHHH
HH

0.02 M calcium chloride dihydrate 0.1 M sodium acetate pH 4.6, 30 % v/v MPD

Biotechnology and Biological Sciences Research Council

Computationally designed enzyme, HYDROLASE

MIRAVFFDFVGTLLSVEGEAKTHLKIMEEVLGDYPLNPKTLLDEYEKLTREAFSNYAGKPYRPIRDIEEEVMRKLAEKYG
FKYPENFWEIHLRMHQRYGELYPEVVEVLKSLKGKYHVGMITDSDTEYLMAHLDALGIKDLFDSITTSEEAGFFKPHPRI
FELALKKAGVKGEEAVYVGDNPVKDCGGSKNLGMTSILLDRKGEKREFWDKCDFIVSDLREVIKIVDELNGQ